SCHEMBL9634352

SCHEMBL9634352

C#CCOc1ccc(-c2nc3ncccc3[nH]2)cc1O

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKA O14965 6/20 0.48
PDE5A O76074 4/20 0.47
PRMT5 O14744 2/20 0.46
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
HPSE Q9Y251 1/20 0.46
NPY5R Q15761 1/20 0.44
FAAH O00519 1/20 0.44
PARP1 P09874 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9635680 0.85 AURKA (0.56) AURKAPDE5APRMT5NPY5RPARP1
SCHEMBL9635658 0.85 AURKA (0.56) AURKAPDE5APRMT5NPY5RPARP1
SCHEMBL9634857 0.84 PDE5A (0.55) AURKAPDE5APRMT5NPY5R
SCHEMBL9635725 0.84 PDE5A (0.55) AURKAPDE5APRMT5NPY5R
SCHEMBL9634821 0.82 PARP1 (0.49) AURKAPDE5APRMT5HPSENPY5R
SCHEMBL9634908 0.81 PRMT5 (0.65) AURKAPRMT5HPSEFAAHPARP1
SCHEMBL9635915 0.80 AURKA (0.67) AURKAPDE5APRMT5NPY5RFAAH
SCHEMBL9634620 0.80 PDE5A (0.52) AURKAPDE5APRMT5
SCHEMBL9634834 0.79 ALDH1A1 (0.44) AURKAMGAMGAASIMGAM2
SCHEMBL9635685 0.78 PDE5A (0.57) AURKAPDE5APRMT5MGAMGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5104881-A 2-ARYLIMIDAZOPYRIDINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-04-14 US disclosed
US-4616090-A 2-arylimidazopyridines intermediates MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-10-07 US disclosed
EP-0072926-B1 2-ARYLIMIDAZOPYRIDINES MERCK PATENT GmbH (DE) 1986-09-24 EP disclosed
EP-0072926-A1 2-Arylimidazopyridines MERCK PATENT GmbH (DE) 1983-03-02 EP disclosed